REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3a4s_1_D DATA FIRST_RESID 340 DATA SEQUENCE ELRLRVQGKE KHQMLEISLS PXSPLKVLMS HYEEAXXXXX XXLSFFFDGT DATA SEQUENCE KLSGKELPAX XGLESGDLIE VW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 340 E HA 0.000 nan 4.350 nan 0.000 0.000 340 E C 0.000 176.584 176.600 -0.027 0.000 0.000 340 E CA 0.000 56.386 56.400 -0.023 0.000 0.000 340 E CB 0.000 29.688 29.700 -0.020 0.000 0.000 341 L N 3.696 124.896 121.223 -0.038 0.000 2.499 341 L HA 0.179 4.516 4.340 -0.005 0.000 0.273 341 L C 0.673 177.519 176.870 -0.040 0.000 1.195 341 L CA 1.055 55.869 54.840 -0.042 0.000 0.882 341 L CB 0.149 42.171 42.059 -0.061 0.000 1.133 341 L HN 0.464 nan 8.230 nan 0.000 0.483 342 R N 4.568 125.052 120.500 -0.027 0.000 3.785 342 R HA 0.364 4.701 4.340 -0.005 0.000 0.255 342 R C -0.451 175.840 176.300 -0.015 0.000 1.485 342 R CA -0.343 55.746 56.100 -0.019 0.000 1.555 342 R CB -0.005 30.291 30.300 -0.007 0.000 1.362 342 R HN 0.519 nan 8.270 nan 0.000 0.702 343 L N 1.576 122.781 121.223 -0.029 0.000 2.475 343 L HA 0.392 4.728 4.340 -0.005 0.000 0.250 343 L C 0.719 177.594 176.870 0.007 0.000 1.224 343 L CA -0.366 54.463 54.840 -0.019 0.000 0.821 343 L CB 0.347 42.376 42.059 -0.050 0.000 1.141 343 L HN 0.404 nan 8.230 nan 0.000 0.494 344 R N -0.712 119.805 120.500 0.028 0.000 2.740 344 R HA 0.822 5.159 4.340 -0.005 0.000 0.273 344 R C -1.913 174.417 176.300 0.051 0.000 0.998 344 R CA -0.926 55.204 56.100 0.049 0.000 0.900 344 R CB 1.744 32.076 30.300 0.054 0.000 1.223 344 R HN 0.243 nan 8.270 nan 0.000 0.466 345 V N 1.291 121.236 119.914 0.053 0.000 2.623 345 V HA 0.482 4.599 4.120 -0.005 0.000 0.304 345 V C -0.803 175.295 176.094 0.006 0.000 1.054 345 V CA -0.637 61.648 62.300 -0.026 0.000 0.882 345 V CB 1.598 33.273 31.823 -0.246 0.000 1.002 345 V HN 0.835 nan 8.190 nan 0.000 0.424 346 Q N 1.899 121.687 119.800 -0.020 0.000 2.379 346 Q HA 0.737 5.073 4.340 -0.005 0.000 0.278 346 Q C -0.320 175.635 176.000 -0.076 0.000 1.068 346 Q CA -0.329 55.473 55.803 -0.002 0.000 0.816 346 Q CB 2.762 31.500 28.738 0.001 0.000 1.387 346 Q HN 0.888 nan 8.270 nan 0.000 0.413 347 G N 1.158 109.911 108.800 -0.079 0.000 2.857 347 G HA2 0.182 4.139 3.960 -0.005 0.000 0.217 347 G HA3 0.182 4.139 3.960 -0.005 0.000 0.217 347 G C 0.027 174.777 174.900 -0.250 0.000 1.357 347 G CA -0.267 44.712 45.100 -0.201 0.000 1.033 347 G HN 0.708 nan 8.290 nan 0.000 0.571 348 K N -0.559 119.651 120.400 -0.316 0.000 2.057 348 K HA 0.019 4.336 4.320 -0.005 0.000 0.206 348 K C 0.506 177.007 176.600 -0.164 0.000 1.050 348 K CA 0.869 56.984 56.287 -0.286 0.000 0.935 348 K CB -0.056 32.258 32.500 -0.311 0.000 0.715 348 K HN 0.338 nan 8.250 nan 0.000 0.439 349 E N 0.616 120.747 120.200 -0.116 0.000 2.349 349 E HA 0.012 4.359 4.350 -0.005 0.000 0.265 349 E C 0.534 177.094 176.600 -0.068 0.000 1.064 349 E CA -0.086 56.274 56.400 -0.067 0.000 0.886 349 E CB 1.038 30.723 29.700 -0.026 0.000 1.036 349 E HN -0.097 nan 8.360 nan 0.000 0.413 350 K N 1.260 121.609 120.400 -0.085 0.000 2.000 350 K HA -0.191 4.125 4.320 -0.005 0.000 0.218 350 K C 0.947 177.402 176.600 -0.240 0.000 1.053 350 K CA 1.715 57.879 56.287 -0.204 0.000 0.946 350 K CB -0.216 32.099 32.500 -0.308 0.000 0.723 350 K HN 0.573 nan 8.250 nan 0.000 0.446 351 H N 0.579 119.647 119.070 -0.003 0.000 2.538 351 H HA 0.100 4.654 4.556 -0.004 0.000 0.286 351 H C 0.500 175.843 175.328 0.026 0.000 1.035 351 H CA 0.064 56.118 56.048 0.011 0.000 1.169 351 H CB 0.318 30.084 29.762 0.006 0.000 1.417 351 H HN 0.362 nan 8.280 nan 0.000 0.567 352 Q N 0.904 120.760 119.800 0.094 0.000 2.265 352 Q HA 0.054 4.391 4.340 -0.005 0.000 0.217 352 Q C 0.106 176.202 176.000 0.161 0.000 0.916 352 Q CA -0.116 55.756 55.803 0.114 0.000 0.948 352 Q CB -0.070 28.708 28.738 0.067 0.000 1.020 352 Q HN 0.217 nan 8.270 nan 0.000 0.462 353 M N 1.526 121.207 119.600 0.136 0.000 2.129 353 M HA 0.369 4.845 4.480 -0.005 0.000 0.348 353 M C -1.689 174.721 176.300 0.184 0.000 1.116 353 M CA -0.871 54.513 55.300 0.140 0.000 1.022 353 M CB 0.959 33.602 32.600 0.071 0.000 1.599 353 M HN 0.024 nan 8.290 nan 0.000 0.449 354 L N 5.461 126.843 121.223 0.265 0.000 2.446 354 L HA 0.527 4.864 4.340 -0.005 0.000 0.268 354 L C -1.256 175.746 176.870 0.220 0.000 0.975 354 L CA -0.036 54.961 54.840 0.262 0.000 0.848 354 L CB 1.776 44.041 42.059 0.344 0.000 1.225 354 L HN 0.823 nan 8.230 nan 0.000 0.410 355 E N 6.148 126.428 120.200 0.134 0.000 2.316 355 E HA 0.482 4.829 4.350 -0.005 0.000 0.275 355 E C -0.812 175.828 176.600 0.068 0.000 1.029 355 E CA 0.043 56.495 56.400 0.086 0.000 0.871 355 E CB 1.313 31.049 29.700 0.059 0.000 1.022 355 E HN 0.521 nan 8.360 nan 0.000 0.418 356 I N 1.139 121.721 120.570 0.019 0.000 2.730 356 I HA 0.233 4.400 4.170 -0.005 0.000 0.298 356 I C -0.173 175.878 176.117 -0.111 0.000 1.089 356 I CA -0.946 60.306 61.300 -0.081 0.000 1.041 356 I CB 2.268 40.169 38.000 -0.166 0.000 1.235 356 I HN 0.340 nan 8.210 nan 0.000 0.423 357 S N 4.212 119.825 115.700 -0.145 0.000 2.616 357 S HA 0.748 5.214 4.470 -0.005 0.000 0.277 357 S C -0.773 173.748 174.600 -0.131 0.000 1.234 357 S CA -0.443 57.695 58.200 -0.104 0.000 1.028 357 S CB 1.474 64.637 63.200 -0.060 0.000 0.988 357 S HN 0.397 nan 8.310 nan 0.000 0.522 358 L N 1.986 123.155 121.223 -0.090 0.000 2.639 358 L HA 0.391 4.728 4.340 -0.005 0.000 0.264 358 L C -0.285 176.548 176.870 -0.062 0.000 0.948 358 L CA 0.000 54.789 54.840 -0.085 0.000 0.912 358 L CB 1.816 43.813 42.059 -0.103 0.000 1.294 358 L HN 0.637 nan 8.230 nan 0.000 0.412 359 S N 5.453 121.125 115.700 -0.047 0.000 2.560 359 S HA 0.451 4.917 4.470 -0.005 0.000 0.284 359 S C -2.087 172.487 174.600 -0.043 0.000 1.327 359 S CA -0.593 57.584 58.200 -0.037 0.000 1.055 359 S CB 0.458 63.642 63.200 -0.026 0.000 0.868 359 S HN 0.546 nan 8.310 nan 0.000 0.506 363 P HA 0.177 nan 4.420 nan 0.000 0.270 363 P C 0.981 178.231 177.300 -0.084 0.000 1.223 363 P CA -0.682 62.379 63.100 -0.066 0.000 0.785 363 P CB 0.355 32.022 31.700 -0.055 0.000 0.923 364 L N 0.696 121.855 121.223 -0.108 0.000 2.650 364 L HA 0.068 4.405 4.340 -0.005 0.000 0.235 364 L C 1.283 178.051 176.870 -0.169 0.000 1.149 364 L CA 1.072 55.827 54.840 -0.142 0.000 0.887 364 L CB -1.696 40.264 42.059 -0.165 0.000 1.021 364 L HN 0.426 nan 8.230 nan 0.000 0.441 365 K N 0.592 120.914 120.400 -0.129 0.000 2.155 365 K HA -0.009 4.308 4.320 -0.005 0.000 0.203 365 K C 1.498 178.045 176.600 -0.088 0.000 1.052 365 K CA 1.117 57.329 56.287 -0.125 0.000 0.948 365 K CB -0.582 31.871 32.500 -0.079 0.000 0.728 365 K HN 0.210 nan 8.250 nan 0.000 0.448 366 V N 1.835 121.714 119.914 -0.060 0.000 3.383 366 V HA -0.101 4.016 4.120 -0.005 0.000 0.272 366 V C 1.774 177.869 176.094 0.001 0.000 1.181 366 V CA 0.876 63.168 62.300 -0.014 0.000 1.171 366 V CB -0.494 31.322 31.823 -0.012 0.000 0.800 366 V HN 0.431 nan 8.190 nan 0.000 0.515 367 L N -1.080 120.101 121.223 -0.071 0.000 2.730 367 L HA 0.303 4.640 4.340 -0.005 0.000 0.236 367 L C 1.824 178.607 176.870 -0.145 0.000 1.061 367 L CA 1.010 55.798 54.840 -0.086 0.000 0.898 367 L CB 0.306 42.276 42.059 -0.148 0.000 1.270 367 L HN 0.296 nan 8.230 nan 0.000 0.500 368 M N -0.911 118.490 119.600 -0.332 0.000 2.659 368 M HA 0.008 4.485 4.480 -0.005 0.000 0.243 368 M C 1.381 177.580 176.300 -0.167 0.000 1.111 368 M CA 0.624 55.520 55.300 -0.672 0.000 1.070 368 M CB 0.193 32.305 32.600 -0.813 0.000 1.525 368 M HN 0.074 nan 8.290 nan 0.000 0.517 369 S N -1.950 113.747 115.700 -0.005 0.000 2.741 369 S HA 0.034 4.501 4.470 -0.005 0.000 0.245 369 S C 1.621 176.300 174.600 0.132 0.000 1.083 369 S CA -0.294 57.954 58.200 0.080 0.000 0.873 369 S CB -0.170 63.053 63.200 0.038 0.000 0.814 369 S HN 0.487 nan 8.310 nan 0.000 0.476 370 H N 0.692 119.787 119.070 0.043 0.000 2.426 370 H HA -0.119 4.435 4.556 -0.003 0.000 0.298 370 H C 1.755 177.148 175.328 0.108 0.000 1.107 370 H CA 1.755 57.837 56.048 0.057 0.000 1.298 370 H CB -0.307 29.480 29.762 0.043 0.000 1.377 370 H HN 0.518 nan 8.280 nan 0.000 0.519 371 Y N 1.500 121.958 120.300 0.262 0.000 2.337 371 Y HA -0.028 4.521 4.550 -0.001 0.000 0.293 371 Y C 2.300 178.310 175.900 0.183 0.000 1.123 371 Y CA 1.147 59.396 58.100 0.249 0.000 1.201 371 Y CB 0.131 38.757 38.460 0.277 0.000 1.011 371 Y HN 0.225 nan 8.280 nan 0.000 0.545 372 E N 0.286 120.639 120.200 0.256 0.000 2.338 372 E HA -0.170 4.177 4.350 -0.005 0.000 0.197 372 E C 1.765 178.375 176.600 0.017 0.000 1.007 372 E CA 1.016 57.514 56.400 0.163 0.000 0.849 372 E CB 0.043 29.858 29.700 0.191 0.000 0.774 372 E HN 0.730 nan 8.360 nan 0.000 0.506 373 E N 1.185 121.363 120.200 -0.036 0.000 2.045 373 E HA 0.092 4.439 4.350 -0.005 0.000 0.195 373 E C 1.196 177.725 176.600 -0.117 0.000 0.953 373 E CA 0.221 56.576 56.400 -0.076 0.000 0.859 373 E CB -0.430 29.213 29.700 -0.096 0.000 0.854 373 E HN 0.020 nan 8.360 nan 0.000 0.471 383 S N 2.790 118.511 115.700 0.035 0.000 2.451 383 S HA 0.830 5.297 4.470 -0.005 0.000 0.301 383 S C -0.688 173.867 174.600 -0.074 0.000 1.116 383 S CA -0.386 57.830 58.200 0.026 0.000 1.093 383 S CB 0.949 64.178 63.200 0.047 0.000 1.017 383 S HN 0.237 nan 8.310 nan 0.000 0.482 384 F N 1.902 121.774 119.950 -0.130 0.000 2.470 384 F HA 0.697 5.220 4.527 -0.007 0.000 0.329 384 F C -0.287 175.316 175.800 -0.328 0.000 1.072 384 F CA -0.882 57.107 58.000 -0.019 0.000 0.989 384 F CB 1.027 40.019 39.000 -0.015 0.000 1.193 384 F HN 0.441 nan 8.300 nan 0.000 0.481 385 F N 1.730 121.858 119.950 0.296 0.000 2.588 385 F HA 0.534 5.058 4.527 -0.006 0.000 0.310 385 F C -1.074 174.891 175.800 0.276 0.000 1.082 385 F CA -1.045 57.072 58.000 0.195 0.000 0.929 385 F CB 2.175 41.222 39.000 0.079 0.000 1.254 385 F HN 0.279 nan 8.300 nan 0.000 0.455 386 F N 2.219 122.306 119.950 0.228 0.000 2.574 386 F HA 0.452 4.975 4.527 -0.006 0.000 0.313 386 F C 0.016 175.888 175.800 0.118 0.000 1.130 386 F CA -0.927 57.164 58.000 0.151 0.000 0.936 386 F CB 1.446 40.499 39.000 0.089 0.000 1.219 386 F HN 0.585 nan 8.300 nan 0.000 0.445 387 D N 4.400 124.249 120.400 -0.919 0.000 2.751 387 D HA -0.165 4.471 4.640 -0.005 0.000 0.233 387 D C 1.003 177.161 176.300 -0.238 0.000 1.149 387 D CA 2.037 55.620 54.000 -0.694 0.000 0.682 387 D CB -1.092 39.184 40.800 -0.873 0.000 1.068 387 D HN 1.555 nan 8.370 nan 0.000 0.429 388 G N -1.071 107.674 108.800 -0.091 0.000 2.198 388 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.260 388 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.260 388 G C 0.349 175.297 174.900 0.080 0.000 1.025 388 G CA 0.702 45.794 45.100 -0.012 0.000 0.769 388 G HN 0.670 nan 8.290 nan 0.000 0.507 389 T N 0.032 114.683 114.554 0.163 0.000 2.893 389 T HA 0.537 4.884 4.350 -0.005 0.000 0.293 389 T C -0.108 174.675 174.700 0.140 0.000 1.027 389 T CA -0.803 61.392 62.100 0.159 0.000 0.988 389 T CB 2.254 71.173 68.868 0.084 0.000 1.043 389 T HN 0.215 nan 8.240 nan 0.000 0.461 390 K N 2.132 122.502 120.400 -0.051 0.000 2.270 390 K HA 0.446 4.763 4.320 -0.005 0.000 0.276 390 K C -0.799 175.661 176.600 -0.232 0.000 1.023 390 K CA -0.407 55.592 56.287 -0.479 0.000 0.955 390 K CB 0.583 32.804 32.500 -0.465 0.000 0.975 390 K HN 0.318 nan 8.250 nan 0.000 0.471 391 L N 1.037 122.118 121.223 -0.238 0.000 2.335 391 L HA 0.298 4.634 4.340 -0.005 0.000 0.268 391 L C 1.245 178.066 176.870 -0.081 0.000 1.016 391 L CA 0.267 55.052 54.840 -0.092 0.000 0.805 391 L CB 1.657 43.696 42.059 -0.033 0.000 1.311 391 L HN 0.849 nan 8.230 nan 0.000 0.456 392 S N -2.060 113.604 115.700 -0.061 0.000 2.882 392 S HA 0.445 4.912 4.470 -0.005 0.000 0.258 392 S C 0.971 175.535 174.600 -0.060 0.000 1.081 392 S CA 0.471 58.642 58.200 -0.048 0.000 0.886 392 S CB 0.909 64.085 63.200 -0.039 0.000 0.855 392 S HN 1.114 nan 8.310 nan 0.000 0.467 393 G N 2.066 110.821 108.800 -0.075 0.000 2.352 393 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.204 393 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.204 393 G C 0.459 175.320 174.900 -0.065 0.000 1.004 393 G CA 0.169 45.216 45.100 -0.089 0.000 0.648 393 G HN 0.538 nan 8.290 nan 0.000 0.491 394 K N 1.647 122.018 120.400 -0.048 0.000 2.706 394 K HA 0.214 4.530 4.320 -0.005 0.000 0.217 394 K C -0.292 176.286 176.600 -0.037 0.000 1.019 394 K CA 0.474 56.739 56.287 -0.037 0.000 1.181 394 K CB -0.277 32.206 32.500 -0.028 0.000 0.940 394 K HN 0.570 nan 8.250 nan 0.000 0.491 395 E N 0.515 120.686 120.200 -0.048 0.000 2.272 395 E HA 0.294 4.640 4.350 -0.005 0.000 0.269 395 E C -1.075 175.490 176.600 -0.059 0.000 0.877 395 E CA -0.692 55.680 56.400 -0.046 0.000 0.755 395 E CB 2.120 31.795 29.700 -0.042 0.000 1.192 395 E HN 0.058 nan 8.360 nan 0.000 0.422 396 L N 2.592 123.784 121.223 -0.052 0.000 2.387 396 L HA 0.421 4.758 4.340 -0.005 0.000 0.266 396 L C -2.078 174.750 176.870 -0.070 0.000 1.059 396 L CA -2.226 52.578 54.840 -0.060 0.000 0.801 396 L CB 0.656 42.688 42.059 -0.045 0.000 1.223 396 L HN 0.324 nan 8.230 nan 0.000 0.456 397 P HA -0.003 nan 4.420 nan 0.000 0.252 397 P C -0.304 176.962 177.300 -0.057 0.000 1.183 397 P CA 0.041 63.082 63.100 -0.099 0.000 0.973 397 P CB 0.031 31.671 31.700 -0.099 0.000 0.990 402 L N 0.015 121.126 121.223 -0.188 0.000 2.473 402 L HA 0.365 4.702 4.340 -0.005 0.000 0.280 402 L C 0.770 177.575 176.870 -0.108 0.000 1.266 402 L CA 0.665 55.334 54.840 -0.285 0.000 0.824 402 L CB 0.455 42.279 42.059 -0.391 0.000 1.091 402 L HN 0.341 nan 8.230 nan 0.000 0.534 403 E N -0.757 119.393 120.200 -0.083 0.000 2.423 403 E HA 0.108 4.455 4.350 -0.005 0.000 0.280 403 E C -1.508 175.078 176.600 -0.024 0.000 1.030 403 E CA -0.690 55.693 56.400 -0.029 0.000 0.812 403 E CB 2.034 31.742 29.700 0.014 0.000 1.313 403 E HN 0.460 nan 8.360 nan 0.000 0.456 404 S N -0.029 115.663 115.700 -0.015 0.000 2.509 404 S HA 0.334 4.801 4.470 -0.005 0.000 0.287 404 S C 0.852 175.457 174.600 0.008 0.000 1.248 404 S CA 1.612 59.807 58.200 -0.009 0.000 1.089 404 S CB -0.418 62.778 63.200 -0.007 0.000 0.900 404 S HN 0.797 nan 8.310 nan 0.000 0.496 405 G N 4.537 113.344 108.800 0.012 0.000 2.316 405 G HA2 -0.172 3.785 3.960 -0.005 0.000 0.203 405 G HA3 -0.172 3.785 3.960 -0.005 0.000 0.203 405 G C -0.207 174.724 174.900 0.052 0.000 0.999 405 G CA -0.135 44.982 45.100 0.029 0.000 0.649 405 G HN 0.661 nan 8.290 nan 0.000 0.489 406 D N 0.777 121.215 120.400 0.064 0.000 2.364 406 D HA 0.477 5.114 4.640 -0.005 0.000 0.236 406 D C 0.690 177.071 176.300 0.135 0.000 1.221 406 D CA 0.823 54.906 54.000 0.137 0.000 0.891 406 D CB 0.853 41.747 40.800 0.157 0.000 1.190 406 D HN 0.883 nan 8.370 nan 0.000 0.449 407 L N -1.486 119.867 121.223 0.216 0.000 2.386 407 L HA 0.647 4.984 4.340 -0.005 0.000 0.271 407 L C -0.950 176.083 176.870 0.271 0.000 0.993 407 L CA -0.633 54.313 54.840 0.177 0.000 0.819 407 L CB 1.452 43.582 42.059 0.117 0.000 1.294 407 L HN 0.232 nan 8.230 nan 0.000 0.414 408 I N 3.138 123.836 120.570 0.213 0.000 2.406 408 I HA 0.414 4.581 4.170 -0.005 0.000 0.290 408 I C -0.318 175.937 176.117 0.230 0.000 0.999 408 I CA -0.616 60.853 61.300 0.281 0.000 1.124 408 I CB 1.771 39.915 38.000 0.240 0.000 1.289 408 I HN 0.733 nan 8.210 nan 0.000 0.441 409 E N 6.654 127.042 120.200 0.313 0.000 2.277 409 E HA 0.535 4.882 4.350 -0.005 0.000 0.274 409 E C -0.891 175.914 176.600 0.343 0.000 1.022 409 E CA -0.647 55.915 56.400 0.269 0.000 0.853 409 E CB 2.206 32.123 29.700 0.362 0.000 1.086 409 E HN 0.232 nan 8.360 nan 0.000 0.397 410 V N 1.452 121.391 119.914 0.041 0.000 2.680 410 V HA 0.435 4.552 4.120 -0.005 0.000 0.309 410 V C -0.233 175.848 176.094 -0.021 0.000 1.052 410 V CA -0.961 61.275 62.300 -0.106 0.000 0.908 410 V CB 1.795 33.374 31.823 -0.407 0.000 1.001 410 V HN 0.662 nan 8.190 nan 0.000 0.431 411 W N 0.000 121.233 121.300 -0.111 0.000 2.388 411 W HA 0.000 4.657 4.660 -0.005 0.000 0.303 411 W CA 0.000 57.328 57.345 -0.027 0.000 1.226 411 W CB 0.000 29.512 29.460 0.087 0.000 1.126 411 W HN 0.000 nan 8.180 nan 0.000 0.535